CAS
1317-80-2 Purity
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1317-80-2 Purity
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Specification
The molecular formula is C21H24O2.
The molecular weight is 308.4 g/mol.
The IUPAC name is 1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol.
The InChI key is SICLLPHPVFCNTJ-UHFFFAOYSA-N.
The Canonical SMILES is CC1(CC2(CC(C3=C2C=C(C=C3)O)(C)C)C4=C1C=CC(=C4)O)C.
The CAS number is 1568-80-5.
The XLogP3-AA value is 5.8.
The compound has 2 hydrogen bond donor counts.
The compound has 0 rotatable bond counts.
Yes, the compound is canonicalized.